CM4582-2417 Screening compound: N-(2-chloro-4-methylphenyl)-4-{2-[(cyclopropylmethoxy)methyl]-4,4-difluoropyrrolidin-1-yl}piperidine-1-carboxamide

CM4582-2417 Screening compound: N-(2-chloro-4-methylphenyl)-4-{2-[(cyclopropylmethoxy)methyl]-4,4-difluoropyrrolidin-1-yl}piperidine-1-carboxamide
CM4582-2417 Screening compound: N-(2-chloro-4-methylphenyl)-4-{2-[(cyclopropylmethoxy)methyl]-4,4-difluoropyrrolidin-1-yl}piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4582-2417
N-(2-chloro-4-methylphenyl)-4-{2-[(cyclopropylmethoxy)methyl]-4,4-difluoropyrrolidin-1-yl}piperidine-1-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

CM4582-2417

Molecular Formula

C22H30ClF2N3O2 (C22 H30 ClF2 N3 O2)

Compound Name

N-(2-chloro-4-methylphenyl)-4-{2-[(cyclopropylmethoxy)methyl]-4,4-difluoropyrrolidin-1-yl}piperidine-1-carboxamide

IUPAC name

N-(2-chloro-4-methylphenyl)-4-[(2S)-2-[(cyclopropylmethoxy)methyl]-44-difluoropyrrolidin-1-yl]piperidine-1-carboxamide

SMILES

Cc(cc1)cc(Cl)c1NC(N(CC1)CCC1N(C1)[C@H](COCC2CC2)CC1(F)F)=O

InChI

InChI=1S/C22H30ClF2N3O2/c1-15-2-5-20(19(23)10-15)26-21(29)27-8-6-17(7-9-27)28-14-22(24,25)11-18(28)13-30-12-16-3-4-16/h2,5,10,16-18H,3-4,6-9,11-14H2,1H3,(H,26,29)/t18-/m0/s1

InChI Key

KNNOGXBCVQEBBZ-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.788

Distribution Coefficient, logD

4.771

Water Solubility, LogSw

-4.88

Polar Surface Area

36.735

Acid Dissociation Constant (pKa)

12.02

Base Dissociation Constant (pKb)

6.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.18

CM4582-2417 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with CM4582-2417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4582-2417?
Check Price and Availability of CM4582-2417, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of CM4582-2417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4582-2417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4582-2417
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of CM4582-2417 available by request